SCHEMBL8702170

SCHEMBL8702170

N#Cc1ccc(C(F)(c2cncnc2)c2cc3ccccc3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.43
CYP2A6 P11509 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP3A5 P20815 2/20 0.38
MAPT P10636 1/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
KIF11 P52732 1/20 0.33
PGR P06401 1/20 0.33
KCNH2 Q12809 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8700383 0.86 CYP19A1 (0.49) CYP19A1
SCHEMBL8700871 0.85 CYP3A4 (0.43) CYP19A1CYP2A6CYP3A4CYP3A5MAPT
SCHEMBL8698505 0.85 CYP19A1 (0.38) CYP19A1CYP2A6CYP3A4CYP3A5MAPT
SCHEMBL8700003 0.85 CYP19A1 (0.58) CYP19A1
SCHEMBL8699061 0.84 CYP19A1 (0.57) CYP19A1
SCHEMBL8697385 0.84 CYP19A1 (0.46) CYP19A1CYP3A4MAPT
SCHEMBL8696315 0.83 CYP19A1 (0.57) CYP19A1CYP2A6CYP3A4CYP3A5FNTA
SCHEMBL2351716 0.77 CYP19A1 (0.59) CYP19A1CYP3A4CYP3A5KIF11
SCHEMBL8698474 0.76 CYP19A1 (0.38) CYP19A1CYP3A4CYP3A5FNTAFNTB
SCHEMBL8700017 0.76 CYP19A1 (0.42) CYP19A1CYP3A4CYP3A5KIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO claimed
WO-1998018791-A1 HETEROCYCLIC FURAN COMPOUNDS, THEIR PREPARATION AND USE AS AROMATASE INHIBITORS A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) 1998-05-07 WO disclosed